Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "200f58b3f1c4e256aa65a7c26b4b6422",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.507,
"b": 40.546,
"c": 36.118,
"alpha": 90.00,
"beta": 97.51,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.440,1.650],
"number_observations_unique": 20931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 1055,
"number_observations_unique": 449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.514
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [19.440,9.040],
"number_observations": 209,
"number_observations_unique": 63,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 82.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}